Geometry & MOs

Info

ID:	193288
PubChem CID:	78370704
Reduced:	BrFSN6C18H18 (1)
Stoich.:	ABCD6E18F18 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	91.58
Dipole, Da:	6.55
IP(EA), eV:	-8.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-2-yl-1-pyridin-4-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

C1C(NNC1C2=NN=C(N2N)SCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)F

DOS

IR

Vibrations